Package qsardes.descriptor.qsarwb

# Class QsarWBRotatableBondsCount

java.lang.Object
qsardes.descriptor.DescriptorRotatableBondsCount
qsardes.descriptor.qsarwb.QsarWBRotatableBondsCount

All Implemented Interfaces:
  `Descriptor`

public final class QsarWBRotatableBondsCount extends DescriptorRotatableBondsCount
Rotatable bonds count descriptors (QSAR-WB Descriptors).
Calculates rotatable bonds count descriptors using the CDK RotatableBondsCountDescriptor class (excludeAmides is set to false). In addition calculates the fraction of rotatable bonds.
Returns
nRotB - Rotatable bonds count, excluding terminal bonds.
nRotBt - Rotatable bonds count, including terminal bonds.
RotBFrac - Rotatable bonds fraction, excluding terminal bonds.
RotBtFrac - Rotatable bonds fraction, including terminal bonds.

- ## Constructor Summary

  Constructors
  Constructor
  Description
  `QsarWBRotatableBondsCount()`

- ## Method Summary

  ### Methods inherited from class qsardes.descriptor.DescriptorRotatableBondsCount

  `get_descriptor_names, get_descriptor_type, get_descriptor_values, toString`

  ### Methods inherited from class java.lang.Object

  `clone, equals, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait`

- ## Constructor Details

  - ### QsarWBRotatableBondsCount

    public QsarWBRotatableBondsCount()